3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-6,7-diethoxy-1H-quinazoline-2,4-dione

Systemtic Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-6,7-diethoxy-1H-quinazoline-2,4-dione Openeye Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]-6,7-diethoxy-1H-quinazoline-2,4-dione CAS Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-6,7-diethoxy-1H-quinazoline-2,4-dione IUPAC Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-6,7-diethoxy-1H-quinazoline-2,4-dione Traditional Name: 3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]-6,7-diethoxy-1H-quinazoline-2,4-quinone Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCC(=O)N3CCC4=CC=CC=C4C3)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCC(=O)N3CCC4=CC=CC=C4C3)OCC

InChI

InChI=1S/C25H29N3O5/c1-3-32-21-14-19-20(15-22(21)33-4-2)26-25(31)28(24(19)30)12-7-10-23(29)27-13-11-17-8-5-6-9-18(17)16-27/h5-6,8-9,14-15H,3-4,7,10-13,16H2,1-2H3,(H,26,31)